#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub3 h LEU 3 N 0.00 0.75 -1.48 -2.12 5.85 -1.99 -1.35 115.31 114.97 1ub3 h LEU 3 Ca 0.00 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1ub3 h LEU 3 Cb 0.00 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1ub3 h LEU 3 CO 0.00 0.54 0.46 0.00 -0.34 0.00 0.00 178.44 179.11 1ub3 h ALA 4 N 1.26 1.88 0.00 1.25 0.00 -1.88 -0.66 119.26 121.11 1ub3 h ALA 4 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ub3 h ALA 4 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ub3 h ALA 4 CO -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1ub3 n ALA 5 N -2.48 2.03 -0.04 0.00 0.00 -0.51 -1.32 120.51 118.19 1ub3 n ALA 5 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ub3 n ALA 5 Cb 0.35 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ub3 n ALA 5 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ub3 n HIS 6 N -0.94 0.00 -3.93 0.00 -0.00 -0.26 -4.59 115.22 105.50 1ub3 n HIS 6 Ca 0.10 -0.12 -0.35 0.00 -0.00 0.00 0.00 57.72 57.35 1ub3 n HIS 6 Cb 0.04 -0.01 -0.09 0.00 -0.00 0.00 0.00 29.99 29.93 1ub3 n HIS 6 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1ub3 s ILE 7 N -0.24 4.97 -0.67 1.59 1.01 -0.78 0.07 121.20 127.16 1ub3 s ILE 7 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 1ub3 s ILE 7 Cb 0.00 -3.24 0.16 0.00 0.01 0.00 0.00 42.46 39.39 1ub3 s ILE 7 CO 0.00 0.46 0.64 -1.81 0.00 0.00 0.00 174.94 174.23 1ub3 s ASP 8 N 0.30 6.42 -0.04 3.58 1.01 0.49 -1.45 116.67 126.99 1ub3 s ASP 8 Ca 0.05 -2.10 -0.30 0.00 0.71 0.00 0.00 52.55 50.91 1ub3 s ASP 8 Cb -0.12 -2.22 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 1ub3 s ASP 8 CO -0.00 -0.78 1.68 -2.28 0.21 0.00 0.00 175.17 173.99 1ub3 s HIS 9 N 1.20 1.95 -0.05 4.23 2.46 0.53 -2.74 115.29 122.87 1ub3 s HIS 9 Ca 0.10 0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.80 1ub3 s HIS 9 Cb -0.21 -3.95 -0.03 0.00 -0.13 0.00 0.00 32.58 28.26 1ub3 s HIS 9 CO -0.02 -3.99 -0.09 0.99 -2.47 0.00 0.00 174.74 169.16 1ub3 s THR 10 N 3.97 3.55 -0.32 0.89 2.01 0.00 -0.24 115.64 125.51 1ub3 s THR 10 Ca 0.75 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 1ub3 s THR 10 Cb -0.34 -2.45 0.12 0.00 0.01 0.00 0.00 72.50 69.83 1ub3 s THR 10 CO 0.31 0.57 0.17 -0.22 -0.69 0.00 0.00 174.62 174.75 1ub3 s LEU 11 N -0.88 0.71 -0.04 4.42 2.96 -0.38 -4.13 118.68 121.34 1ub3 s LEU 11 Ca 0.13 -1.67 0.06 0.00 -0.22 0.00 0.00 54.13 52.43 1ub3 s LEU 11 Cb -0.11 -0.36 0.09 0.00 0.50 0.00 0.00 46.19 46.31 1ub3 s LEU 11 CO 0.02 -0.38 0.96 0.18 -1.32 0.00 0.00 176.35 175.80 1ub3 n LEU 12 N 4.73 1.44 -4.77 -0.68 4.77 -1.26 -3.81 117.00 117.42 1ub3 n LEU 12 Ca 0.02 -1.82 -0.39 0.00 -0.03 0.00 0.00 56.01 53.79 1ub3 n LEU 12 Cb 0.40 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1ub3 n LEU 12 CO 0.08 0.44 0.92 -1.59 -1.33 0.00 0.00 177.39 175.91 1ub3 s LYS 13 N -1.24 3.90 0.29 3.23 -2.85 -1.26 -4.91 119.74 116.90 1ub3 s LYS 13 Ca 0.10 2.04 0.03 0.00 -1.00 0.00 0.00 55.97 57.15 1ub3 s LYS 13 Cb 0.09 -2.66 0.69 0.00 -2.06 0.00 0.00 37.83 33.89 1ub3 s LYS 13 CO 0.01 -0.51 1.73 -1.35 0.10 0.00 0.00 175.35 175.32 1ub3 h PRO 14 N 2.51 0.51 -0.61 1.78 0.11 -2.06 -2.03 132.00 132.21 1ub3 h PRO 14 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ub3 h PRO 14 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ub3 h PRO 14 CO 0.62 0.34 0.00 0.25 -0.21 0.00 0.00 178.00 178.99 1ub3 n THR 15 N -4.95 1.18 -1.68 -1.15 -2.24 -1.26 -4.95 114.28 99.24 1ub3 n THR 15 Ca 0.21 -0.74 -0.49 0.00 -2.27 0.00 0.00 64.05 60.76 1ub3 n THR 15 Cb 0.59 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 1ub3 n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ub3 n ALA 16 N 0.60 0.81 -2.01 6.98 0.00 -0.76 -4.96 120.51 121.17 1ub3 n ALA 16 Ca 0.16 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.74 1ub3 n ALA 16 Cb 0.62 -2.41 0.04 0.00 0.00 0.00 0.00 19.45 17.70 1ub3 n ALA 16 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ub3 s THR 17 N 2.94 2.80 0.29 0.00 -4.23 -1.26 -4.93 115.64 111.25 1ub3 s THR 17 Ca 0.89 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1ub3 s THR 17 Cb -0.74 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.28 1ub3 s THR 17 CO 0.49 -0.05 1.93 0.25 -0.54 0.00 0.00 174.62 176.70 1ub3 h LEU 18 N 0.04 0.96 -0.90 4.79 5.85 -1.99 -0.57 115.31 123.49 1ub3 h LEU 18 Ca -0.43 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1ub3 h LEU 18 Cb 1.29 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1ub3 h LEU 18 CO 0.54 0.74 0.54 -0.08 -0.34 0.00 0.00 178.44 179.83 1ub3 h GLU 19 N 1.10 1.21 -0.15 1.25 4.81 -1.99 0.38 114.58 121.20 1ub3 h GLU 19 Ca 0.29 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 1ub3 h GLU 19 Cb -0.05 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1ub3 h GLU 19 CO -0.05 0.85 -0.54 0.93 -0.73 0.00 0.00 179.01 179.46 1ub3 h GLU 20 N 1.23 0.42 -0.47 1.92 5.08 -1.72 -1.77 114.58 119.28 1ub3 h GLU 20 Ca 0.32 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1ub3 h GLU 20 Cb -0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ub3 h GLU 20 CO -0.06 0.86 0.01 0.28 -1.00 0.00 0.00 179.01 179.10 1ub3 h VAL 21 N 0.33 1.26 -0.74 3.13 2.07 -0.58 -0.51 116.25 121.21 1ub3 h VAL 21 Ca 0.01 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1ub3 h VAL 21 Cb 1.05 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1ub3 h VAL 21 CO 0.09 0.36 0.49 0.00 0.02 0.00 0.00 177.57 178.53 1ub3 h ALA 22 N 0.92 0.94 -0.53 1.67 0.00 -0.78 -0.68 119.26 120.80 1ub3 h ALA 22 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 22 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ub3 h ALA 22 CO 0.02 0.36 0.15 -0.22 0.00 0.00 0.00 179.25 179.56 1ub3 h LYS 23 N 1.01 0.83 -0.84 0.00 3.64 -1.04 -1.29 116.57 118.87 1ub3 h LYS 23 Ca 0.27 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1ub3 h LYS 23 Cb -0.11 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 1ub3 h LYS 23 CO -0.06 0.77 0.44 0.00 -2.27 0.00 0.00 179.45 178.33 1ub3 h ALA 24 N 1.02 1.18 -0.51 5.00 0.00 -0.59 0.22 119.26 125.59 1ub3 h ALA 24 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ub3 h ALA 24 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ub3 h ALA 24 CO -0.00 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.93 1ub3 h ALA 25 N 1.29 0.68 -0.40 0.00 0.00 -0.83 -0.99 119.26 119.01 1ub3 h ALA 25 Ca 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ub3 h ALA 25 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ub3 h ALA 25 CO -0.04 0.45 0.08 0.93 0.00 0.00 0.00 179.25 180.67 1ub3 h GLU 26 N 0.74 0.59 -0.43 0.00 5.08 -0.71 -1.26 114.58 118.59 1ub3 h GLU 26 Ca 0.15 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1ub3 h GLU 26 Cb 0.46 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1ub3 h GLU 26 CO 0.02 0.55 -0.31 0.93 -1.00 0.00 0.00 179.01 179.19 1ub3 h GLU 27 N 0.58 0.96 -0.61 2.33 5.08 -0.55 0.16 114.58 122.52 1ub3 h GLU 27 Ca 0.13 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1ub3 h GLU 27 Cb 0.24 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1ub3 h GLU 27 CO -0.00 1.13 0.27 0.00 -1.00 0.00 0.00 179.01 179.41 1ub3 h ALA 28 N 0.83 1.33 -0.13 3.43 0.00 -0.49 -0.33 119.26 123.89 1ub3 h ALA 28 Ca 0.08 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1ub3 h ALA 28 Cb 0.90 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ub3 h ALA 28 CO 0.08 0.51 -0.50 -0.07 0.00 0.00 0.00 179.25 179.27 1ub3 h LEU 29 N 0.87 0.67 -0.10 0.00 3.38 -0.92 -0.66 115.31 118.56 1ub3 h LEU 29 Ca 0.21 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ub3 h LEU 29 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ub3 h LEU 29 CO -0.02 1.18 0.05 -0.08 0.09 0.00 0.00 178.44 179.65 1ub3 h GLU 30 N 0.21 0.14 -0.02 1.13 4.81 -0.34 -3.23 114.58 117.29 1ub3 h GLU 30 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ub3 h GLU 30 Cb 1.13 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1ub3 h GLU 30 CO 0.11 0.22 -0.17 0.66 -0.73 0.00 0.00 179.01 179.09 1ub3 n TYR 31 N -4.95 0.00 -3.05 0.92 4.02 -0.17 -4.98 117.16 108.96 1ub3 n TYR 31 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.69 1ub3 n TYR 31 Cb 0.09 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.42 1ub3 n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ub3 n GLY 32 N 1.31 0.04 3.77 2.72 0.00 -0.31 -4.84 105.19 107.88 1ub3 n GLY 32 Ca 0.14 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1ub3 n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ub3 s PHE 33 N -3.12 2.92 0.20 1.61 0.08 -0.83 -4.15 117.98 114.69 1ub3 s PHE 33 Ca 0.31 1.43 -0.10 0.00 0.12 0.00 0.00 56.93 58.68 1ub3 s PHE 33 Cb -0.14 -3.64 0.18 0.00 -0.57 0.00 0.00 43.02 38.85 1ub3 s PHE 33 CO 0.38 -1.92 1.84 -0.92 -0.10 0.00 0.00 175.22 174.50 1ub3 h TYR 34 N 2.91 0.77 -4.01 0.36 5.03 -0.63 -3.42 116.97 117.99 1ub3 h TYR 34 Ca -0.49 0.02 -0.25 0.00 2.58 0.00 0.00 58.73 60.59 1ub3 h TYR 34 Cb 1.24 -0.25 -0.15 0.00 1.55 0.00 0.00 36.73 39.12 1ub3 h TYR 34 CO 0.54 0.44 -0.66 0.20 -1.32 0.00 0.00 178.16 177.36 1ub3 s GLY 35 N -2.91 1.13 -0.16 1.82 0.00 -0.53 -0.56 107.32 106.12 1ub3 s GLY 35 Ca -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1ub3 s GLY 35 CO 0.76 -1.47 -0.09 -2.27 0.00 0.00 0.00 173.10 170.04 1ub3 s LEU 36 N -3.13 1.68 -0.31 0.66 2.96 0.05 -0.35 118.68 120.26 1ub3 s LEU 36 Ca 0.24 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1ub3 s LEU 36 Cb 0.07 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1ub3 s LEU 36 CO 0.03 -0.13 0.10 0.00 -1.32 0.00 0.00 176.35 175.02 1ub3 s ILE 38 N 1.50 0.92 0.53 0.00 -5.25 -0.72 -1.25 121.20 116.93 1ub3 s ILE 38 Ca 0.02 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 57.46 1ub3 s ILE 38 Cb -0.18 -2.68 -0.06 0.00 2.95 0.00 0.00 42.46 42.50 1ub3 s ILE 38 CO 0.03 -0.04 1.30 -2.65 -1.79 0.00 0.00 174.94 171.79 1ub3 n PRO 39 N -0.57 1.64 -0.11 0.37 -0.02 -1.25 -4.20 135.00 130.86 1ub3 n PRO 39 Ca -0.02 0.60 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 1ub3 n PRO 39 Cb 0.66 -2.50 0.59 0.00 -0.02 0.00 0.00 33.50 32.23 1ub3 n PRO 39 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ub3 h PRO 40 N 1.42 0.23 0.00 0.52 0.13 -1.94 -1.08 132.00 131.28 1ub3 h PRO 40 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ub3 h PRO 40 Cb 1.31 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ub3 h PRO 40 CO 0.57 0.15 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 1ub3 n SER 41 N -4.43 0.00 -0.42 1.44 3.41 -1.26 -2.64 113.62 109.72 1ub3 n SER 41 Ca 0.13 -0.83 0.05 0.00 -0.26 0.00 0.00 58.87 57.96 1ub3 n SER 41 Cb 0.60 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1ub3 n SER 41 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ub3 n TYR 42 N -0.98 0.07 -0.06 7.33 4.02 -0.41 -4.67 117.16 122.46 1ub3 n TYR 42 Ca 0.19 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.90 57.88 1ub3 n TYR 42 Cb 0.09 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 1ub3 n TYR 42 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ub3 h VAL 43 N 1.86 1.12 -0.60 -0.72 2.07 -1.56 -2.22 116.25 116.20 1ub3 h VAL 43 Ca 0.00 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1ub3 h VAL 43 Cb 0.46 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1ub3 h VAL 43 CO 0.00 0.12 0.35 0.00 0.02 0.00 0.00 177.57 178.05 1ub3 h ALA 44 N 1.00 0.79 -0.15 1.67 0.00 -1.81 -1.46 119.26 119.30 1ub3 h ALA 44 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ub3 h ALA 44 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ub3 h ALA 44 CO -0.01 0.04 0.07 2.35 0.00 0.00 0.00 179.25 181.70 1ub3 h TRP 45 N 0.66 0.22 -0.59 0.00 7.01 -1.83 -1.24 115.95 120.18 1ub3 h TRP 45 Ca 0.26 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 1ub3 h TRP 45 Cb 0.10 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 1ub3 h TRP 45 CO -0.07 0.27 0.35 0.28 -2.79 0.00 0.00 178.44 176.47 1ub3 h VAL 46 N 0.11 1.18 -0.53 2.65 2.07 -1.13 -0.06 116.25 120.54 1ub3 h VAL 46 Ca 0.05 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1ub3 h VAL 46 Cb 0.14 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1ub3 h VAL 46 CO -0.01 0.19 0.01 -0.09 0.02 0.00 0.00 177.57 177.69 1ub3 h ARG 47 N 0.79 0.88 -0.16 1.57 9.65 -1.17 0.78 114.38 126.72 1ub3 h ARG 47 Ca 0.21 -0.24 -0.14 0.00 -1.10 0.00 0.00 59.98 58.70 1ub3 h ARG 47 Cb -0.00 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1ub3 h ARG 47 CO -0.04 0.87 -0.51 0.00 2.80 0.00 0.00 179.97 183.09 1ub3 h ALA 48 N 1.19 0.81 -0.06 2.80 0.00 -0.91 -1.53 119.26 121.56 1ub3 h ALA 48 Ca 0.16 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 1ub3 h ALA 48 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ub3 h ALA 48 CO 0.02 0.68 -0.78 -0.09 0.00 0.00 0.00 179.25 179.08 1ub3 h ARG 49 N 0.35 0.39 -2.21 0.00 9.65 -0.70 -3.37 114.38 118.49 1ub3 h ARG 49 Ca 0.01 -0.34 -0.58 0.00 -1.10 0.00 0.00 59.98 57.97 1ub3 h ARG 49 Cb 1.02 0.08 -0.40 0.00 -1.39 0.00 0.00 29.97 29.28 1ub3 h ARG 49 CO 0.09 0.99 -0.92 0.66 2.80 0.00 0.00 179.97 183.60 1ub3 n TYR 50 N -3.81 0.78 -0.14 2.20 4.02 0.24 -4.98 117.16 115.47 1ub3 n TYR 50 Ca -0.05 -3.72 0.17 0.00 -0.01 0.00 0.00 57.90 54.30 1ub3 n TYR 50 Cb 0.74 -0.31 0.55 0.00 -0.02 0.00 0.00 39.34 40.30 1ub3 n TYR 50 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ub3 h PRO 51 N 4.46 0.30 -0.92 -0.72 0.13 -1.45 -2.43 132.00 131.38 1ub3 h PRO 51 Ca 0.14 -0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.71 1ub3 h PRO 51 Cb 0.82 -0.07 -0.43 0.00 0.13 0.00 0.00 31.00 31.46 1ub3 h PRO 51 CO 0.55 0.20 -0.81 0.72 -0.23 0.00 0.00 178.00 178.44 1ub3 n HIS 52 N -4.45 2.85 -1.67 1.56 8.25 -1.26 -5.04 115.22 115.46 1ub3 n HIS 52 Ca 0.14 -2.42 -0.42 0.00 -0.26 0.00 0.00 57.72 54.76 1ub3 n HIS 52 Cb 0.59 -0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.42 1ub3 n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ub3 n ALA 53 N -0.65 0.96 0.22 -1.41 0.00 -0.91 -4.89 120.51 113.83 1ub3 n ALA 53 Ca 0.42 0.33 0.11 0.00 0.00 0.00 0.00 53.44 54.29 1ub3 n ALA 53 Cb 0.90 -2.21 0.40 0.00 0.00 0.00 0.00 19.45 18.54 1ub3 n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ub3 h PRO 54 N 2.24 0.00 -6.63 0.00 0.13 -1.97 -3.44 132.00 122.34 1ub3 h PRO 54 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.16 1ub3 h PRO 54 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1ub3 h PRO 54 CO 0.61 0.19 -0.00 -0.59 -0.23 0.00 0.00 178.00 177.98 1ub3 s PHE 55 N -3.50 3.42 0.15 1.56 -0.12 -1.26 -4.99 117.98 113.26 1ub3 s PHE 55 Ca 0.02 0.99 -0.30 0.00 -0.05 0.00 0.00 56.93 57.59 1ub3 s PHE 55 Cb 0.09 -2.36 -0.07 0.00 -0.63 0.00 0.00 43.02 40.04 1ub3 s PHE 55 CO 0.64 0.12 1.00 1.03 -0.05 0.00 0.00 175.22 177.96 1ub3 s ARG 56 N -3.20 4.69 -0.35 1.99 3.00 0.27 -4.87 118.95 120.49 1ub3 s ARG 56 Ca 0.50 1.55 -0.20 0.00 0.00 0.00 0.00 55.73 57.57 1ub3 s ARG 56 Cb -0.11 -3.33 0.00 0.00 0.00 0.00 0.00 34.95 31.52 1ub3 s ARG 56 CO 0.23 0.22 0.62 -1.17 0.00 0.00 0.00 175.30 175.21 1ub3 s LEU 57 N -0.32 4.24 0.02 2.53 2.96 -1.26 -0.77 118.68 126.09 1ub3 s LEU 57 Ca 0.47 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 1ub3 s LEU 57 Cb -0.26 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1ub3 s LEU 57 CO 0.32 -0.56 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.95 1ub3 s VAL 58 N 2.66 3.03 0.32 1.68 1.01 0.84 -0.07 120.40 129.88 1ub3 s VAL 58 Ca 0.24 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1ub3 s VAL 58 Cb -0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1ub3 s VAL 58 CO 0.14 0.38 0.30 0.28 0.00 0.00 0.00 175.10 176.20 1ub3 s THR 59 N -0.92 0.00 0.06 3.92 -1.32 -0.86 -1.76 115.64 114.76 1ub3 s THR 59 Ca 0.15 -1.93 0.08 0.00 -1.21 0.00 0.00 61.69 58.78 1ub3 s THR 59 Cb -0.11 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 1ub3 s THR 59 CO 0.05 0.00 -0.20 0.68 -2.21 0.00 0.00 174.62 172.94 1ub3 s VAL 60 N -3.43 2.65 -0.03 5.08 -7.23 -1.26 -0.85 120.40 115.33 1ub3 s VAL 60 Ca 0.39 -1.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 1ub3 s VAL 60 Cb 0.02 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1ub3 s VAL 60 CO 0.25 0.29 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.45 1ub3 s VAL 61 N -0.95 1.56 -1.56 1.32 1.01 -0.45 -4.58 120.40 116.75 1ub3 s VAL 61 Ca 0.15 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1ub3 s VAL 61 Cb -0.10 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1ub3 s VAL 61 CO 0.06 0.44 0.30 0.61 0.00 0.00 0.00 175.10 176.51 1ub3 n GLY 62 N 2.91 -0.51 3.86 4.51 0.00 -1.26 -1.58 105.19 113.12 1ub3 n GLY 62 Ca -0.17 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1ub3 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ub3 s PHE 63 N -3.04 3.59 -1.77 1.61 5.36 -1.26 -0.56 117.98 121.91 1ub3 s PHE 63 Ca 0.17 0.55 0.21 0.00 -0.96 0.00 0.00 56.93 56.89 1ub3 s PHE 63 Cb -0.08 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1ub3 s PHE 63 CO 0.20 0.68 1.00 -0.35 -1.46 0.00 0.00 175.22 175.29 1ub3 n PRO 64 N 2.16 1.23 0.12 10.12 -0.04 -1.26 -4.87 135.00 142.45 1ub3 n PRO 64 Ca -0.19 -0.83 0.06 0.00 -0.04 0.00 0.00 63.50 62.50 1ub3 n PRO 64 Cb 0.54 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1ub3 n PRO 64 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ub3 h LEU 65 N 1.98 0.00 0.00 1.53 3.38 -1.96 -3.48 115.31 116.76 1ub3 h LEU 65 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ub3 h LEU 65 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1ub3 h LEU 65 CO 0.00 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1ub3 n GLY 66 N 1.23 0.89 1.60 0.83 0.00 0.28 -4.46 105.19 105.56 1ub3 n GLY 66 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1ub3 n GLY 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ub3 n TYR 67 N -2.00 1.68 -1.61 1.61 -0.00 -1.26 -3.40 117.16 112.18 1ub3 n TYR 67 Ca 0.00 -0.78 -0.31 0.00 -0.00 0.00 0.00 57.90 56.81 1ub3 n TYR 67 Cb 0.00 -0.50 0.05 0.00 -0.00 0.00 0.00 39.34 38.89 1ub3 n TYR 67 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1ub3 s GLN 68 N -2.27 2.97 0.58 -3.48 1.11 -1.26 -4.98 119.66 112.32 1ub3 s GLN 68 Ca 0.39 0.98 -0.20 0.00 0.01 0.00 0.00 55.36 56.54 1ub3 s GLN 68 Cb 0.31 -1.99 -0.03 0.00 -1.01 0.00 0.00 33.01 30.28 1ub3 s GLN 68 CO 0.10 -1.08 1.30 -1.21 0.01 0.00 0.00 175.29 174.41 1ub3 s GLU 69 N -4.96 2.94 0.24 2.91 0.41 -1.26 -4.83 118.70 114.16 1ub3 s GLU 69 Ca 0.59 2.08 -0.05 0.00 -0.41 0.00 0.00 54.97 57.17 1ub3 s GLU 69 Cb -0.14 -2.06 0.34 0.00 -1.78 0.00 0.00 34.13 30.49 1ub3 s GLU 69 CO 0.53 -1.30 1.85 -0.22 -0.49 0.00 0.00 175.26 175.64 1ub3 h LYS 70 N 1.07 0.95 -0.13 1.61 3.64 -1.96 -0.84 116.57 120.92 1ub3 h LYS 70 Ca -0.51 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.76 1ub3 h LYS 70 Cb 1.31 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1ub3 h LYS 70 CO 0.56 0.63 -0.16 0.93 -2.27 0.00 0.00 179.45 179.14 1ub3 h GLU 71 N 0.98 0.21 -0.09 1.90 3.07 -1.97 -1.39 114.58 117.29 1ub3 h GLU 71 Ca 0.38 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 59.04 1ub3 h GLU 71 Cb 0.18 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1ub3 h GLU 71 CO -0.18 0.38 -0.53 0.28 -1.40 0.00 0.00 179.01 177.56 1ub3 h VAL 72 N 0.20 1.37 -0.61 3.13 2.07 -1.63 -2.43 116.25 118.35 1ub3 h VAL 72 Ca 0.04 -1.86 0.01 0.00 0.82 0.00 0.00 66.70 65.71 1ub3 h VAL 72 Cb 0.41 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1ub3 h VAL 72 CO 0.03 0.56 0.39 0.11 0.02 0.00 0.00 177.57 178.68 1ub3 h LYS 73 N 0.11 0.76 -0.19 1.57 1.57 -0.86 0.12 116.57 119.66 1ub3 h LYS 73 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ub3 h LYS 73 Cb 1.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1ub3 h LYS 73 CO 0.11 0.51 0.09 0.00 -0.57 0.00 0.00 179.45 179.59 1ub3 h ALA 74 N 1.24 0.24 -0.08 3.86 0.00 -1.28 -1.26 119.26 121.97 1ub3 h ALA 74 Ca 0.23 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 74 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ub3 h ALA 74 CO -0.07 -0.20 -0.50 -0.07 0.00 0.00 0.00 179.25 178.41 1ub3 h LEU 75 N 0.18 0.24 -0.61 0.00 3.38 -1.24 -1.26 115.31 116.00 1ub3 h LEU 75 Ca 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1ub3 h LEU 75 Cb 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1ub3 h LEU 75 CO -0.01 0.70 0.23 -0.08 0.09 0.00 0.00 178.44 179.37 1ub3 h GLU 76 N 0.18 0.92 -0.30 1.13 4.81 -0.57 -0.26 114.58 120.50 1ub3 h GLU 76 Ca 0.01 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1ub3 h GLU 76 Cb 0.95 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1ub3 h GLU 76 CO 0.08 0.80 0.05 0.00 -0.73 0.00 0.00 179.01 179.20 1ub3 h ALA 77 N 1.08 0.40 -0.49 2.92 0.00 -1.02 -1.76 119.26 120.39 1ub3 h ALA 77 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 77 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ub3 h ALA 77 CO -0.01 0.10 0.29 0.00 0.00 0.00 0.00 179.25 179.62 1ub3 h ALA 78 N 0.88 0.63 -0.73 0.00 0.00 -0.93 -0.83 119.26 118.28 1ub3 h ALA 78 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 78 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ub3 h ALA 78 CO 0.01 -0.01 0.24 1.25 0.00 0.00 0.00 179.25 180.74 1ub3 h LEU 79 N 0.58 1.05 -0.41 0.00 5.85 -0.97 -0.18 115.31 121.24 1ub3 h LEU 79 Ca 0.20 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ub3 h LEU 79 Cb 0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1ub3 h LEU 79 CO -0.09 0.97 0.19 0.00 -0.34 0.00 0.00 178.44 179.17 1ub3 h ALA 80 N 1.12 0.53 -0.43 1.25 0.00 -0.83 -0.73 119.26 120.16 1ub3 h ALA 80 Ca 0.24 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1ub3 h ALA 80 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ub3 h ALA 80 CO -0.01 0.10 -0.29 0.00 0.00 0.00 0.00 179.25 179.05 1ub3 h ALA 82 N 0.86 1.44 -0.00 0.00 0.00 -0.87 -1.95 119.26 118.73 1ub3 h ALA 82 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ub3 h ALA 82 Cb 0.87 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ub3 h ALA 82 CO 0.08 0.44 -0.04 0.54 0.00 0.00 0.00 179.25 180.26 1ub3 n ARG 83 N -4.36 0.45 0.00 0.00 1.74 -0.29 -4.89 116.66 109.30 1ub3 n ARG 83 Ca 0.04 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1ub3 n ARG 83 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1ub3 n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ub3 n GLY 84 N 1.31 0.74 3.76 -0.13 0.00 -0.73 -3.92 105.19 106.21 1ub3 n GLY 84 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1ub3 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 85 N -0.27 3.48 -0.12 4.61 0.00 -0.19 -4.79 121.76 124.47 1ub3 s ALA 85 Ca 0.00 1.16 0.15 0.00 0.00 0.00 0.00 51.96 53.28 1ub3 s ALA 85 Cb 0.00 -3.44 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 1ub3 s ALA 85 CO 0.00 -0.51 0.39 -0.25 0.00 0.00 0.00 175.76 175.39 1ub3 n ASP 86 N 1.02 0.45 -3.95 0.00 10.43 0.90 -4.47 116.55 120.94 1ub3 n ASP 86 Ca 0.00 0.22 -0.10 0.00 2.57 0.00 0.00 54.79 57.48 1ub3 n ASP 86 Cb 0.43 0.48 -0.10 0.00 1.84 0.00 0.00 41.12 43.76 1ub3 n ASP 86 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1ub3 s GLU 87 N -2.58 0.40 -0.04 -1.24 2.02 -0.85 -2.12 118.70 114.29 1ub3 s GLU 87 Ca -0.07 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.36 1ub3 s GLU 87 Cb 0.07 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.46 1ub3 s GLU 87 CO 0.83 -0.08 -0.11 0.14 0.02 0.00 0.00 175.26 176.06 1ub3 s VAL 88 N -1.62 0.95 -0.38 2.63 -7.23 -0.43 -2.02 120.40 112.29 1ub3 s VAL 88 Ca -0.14 -0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 59.54 1ub3 s VAL 88 Cb -0.08 -0.86 0.06 0.00 0.56 0.00 0.00 36.38 36.07 1ub3 s VAL 88 CO -0.01 0.30 0.19 -1.81 -0.31 0.00 0.00 175.10 173.46 1ub3 s ASP 89 N 0.41 5.47 0.00 4.85 1.11 -0.03 -0.66 116.67 127.83 1ub3 s ASP 89 Ca -0.08 -1.39 -0.01 0.00 0.18 0.00 0.00 52.55 51.25 1ub3 s ASP 89 Cb -0.12 -1.92 -0.04 0.00 1.07 0.00 0.00 42.92 41.91 1ub3 s ASP 89 CO 0.02 -0.45 0.15 0.00 1.18 0.00 0.00 175.17 176.07 1ub3 s MET 90 N 1.39 3.29 -0.03 8.23 0.23 0.34 -1.33 119.30 131.42 1ub3 s MET 90 Ca 0.02 -0.40 -0.13 0.00 -1.03 0.00 0.00 55.69 54.14 1ub3 s MET 90 Cb -0.21 -3.00 -0.05 0.00 -1.53 0.00 0.00 34.83 30.03 1ub3 s MET 90 CO 0.02 0.66 0.35 0.08 -2.03 0.00 0.00 175.02 174.09 1ub3 s VAL 91 N -1.30 5.14 0.72 5.16 1.01 -0.61 0.42 120.40 130.93 1ub3 s VAL 91 Ca 0.27 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 1ub3 s VAL 91 Cb -0.12 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1ub3 s VAL 91 CO 0.18 0.58 1.07 -0.76 0.00 0.00 0.00 175.10 176.17 1ub3 s LEU 92 N -1.01 2.99 -0.53 3.92 1.43 -1.01 -4.72 118.68 119.75 1ub3 s LEU 92 Ca 0.22 1.52 -0.28 0.00 -1.03 0.00 0.00 54.13 54.55 1ub3 s LEU 92 Cb -0.16 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.75 1ub3 s LEU 92 CO 0.11 -1.55 1.34 -2.28 0.23 0.00 0.00 176.35 174.20 1ub3 s HIS 93 N -3.09 2.44 0.04 0.29 5.65 -1.22 -4.39 115.29 115.01 1ub3 s HIS 93 Ca 0.59 0.53 0.29 0.00 0.25 0.00 0.00 55.06 56.72 1ub3 s HIS 93 Cb -0.14 -4.41 1.08 0.00 -1.18 0.00 0.00 32.58 27.93 1ub3 s HIS 93 CO 0.55 -1.81 1.88 -0.07 -0.65 0.00 0.00 174.74 174.63 1ub3 h LEU 94 N 12.45 0.00 0.02 8.88 3.38 -1.78 -1.47 115.31 136.80 1ub3 h LEU 94 Ca -0.26 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.44 1ub3 h LEU 94 Cb 1.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.86 1ub3 h LEU 94 CO 1.16 0.08 -1.07 1.23 0.09 0.00 0.00 178.44 179.92 1ub3 h GLY 95 N 2.32 0.77 1.63 0.83 0.00 -1.91 -0.02 103.07 106.70 1ub3 h GLY 95 Ca -0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 47.33 45.80 1ub3 h GLY 95 CO 0.01 1.23 -0.50 3.21 0.00 0.00 0.00 176.54 180.48 1ub3 h ARG 96 N 0.36 0.39 -0.12 4.80 2.47 -1.91 -1.83 114.38 118.54 1ub3 h ARG 96 Ca -0.14 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.34 1ub3 h ARG 96 Cb 1.73 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 30.06 1ub3 h ARG 96 CO 0.21 0.81 0.01 0.00 0.56 0.00 0.00 179.97 181.56 1ub3 h ALA 97 N 1.15 0.16 -0.89 0.04 0.00 -1.22 0.00 119.26 118.50 1ub3 h ALA 97 Ca 0.01 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1ub3 h ALA 97 Cb 1.00 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1ub3 h ALA 97 CO 0.09 -0.17 0.58 -0.22 0.00 0.00 0.00 179.25 179.52 1ub3 h LYS 98 N -0.04 0.98 0.00 0.00 1.63 -0.88 0.17 116.57 118.44 1ub3 h LYS 98 Ca 0.04 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1ub3 h LYS 98 Cb 0.32 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1ub3 h LYS 98 CO 0.00 0.65 0.00 0.00 -3.45 0.00 0.00 179.45 176.65 1ub3 n ALA 99 N -2.40 2.11 -1.26 5.00 0.00 -0.70 -4.89 120.51 118.37 1ub3 n ALA 99 Ca 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ub3 n ALA 99 Cb 0.20 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 1ub3 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub3 n GLY 100 N 0.74 0.39 3.14 0.00 0.00 0.05 -4.96 105.19 104.55 1ub3 n GLY 100 Ca 0.08 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1ub3 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ub3 n ASP 101 N 1.96 4.79 0.07 1.61 -0.08 -0.07 -4.77 116.55 120.06 1ub3 n ASP 101 Ca -0.00 -2.97 0.03 0.00 -1.51 0.00 0.00 54.79 50.34 1ub3 n ASP 101 Cb 0.13 -1.61 0.42 0.00 2.34 0.00 0.00 41.12 42.40 1ub3 n ASP 101 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ub3 h LEU 102 N 9.91 0.35 -0.72 -2.67 3.38 -1.92 -2.36 115.31 121.27 1ub3 h LEU 102 Ca 0.43 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 1ub3 h LEU 102 Cb 0.75 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1ub3 h LEU 102 CO 1.56 0.36 0.11 0.44 0.09 0.00 0.00 178.44 181.00 1ub3 h ASP 103 N 0.38 1.04 -0.40 -0.43 3.32 -1.98 -0.98 116.42 117.37 1ub3 h ASP 103 Ca 0.09 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1ub3 h ASP 103 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1ub3 h ASP 103 CO -0.00 1.03 0.19 0.22 -1.72 0.00 0.00 179.24 178.95 1ub3 h TYR 104 N 1.02 0.58 -0.13 4.55 3.20 -1.84 -0.91 116.97 123.45 1ub3 h TYR 104 Ca 0.20 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1ub3 h TYR 104 Cb 0.43 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1ub3 h TYR 104 CO 0.03 0.49 0.08 -0.07 -1.64 0.00 0.00 178.16 177.05 1ub3 h LEU 105 N 0.51 0.15 -0.86 2.82 3.38 -1.18 0.07 115.31 120.19 1ub3 h LEU 105 Ca 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ub3 h LEU 105 Cb 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ub3 h LEU 105 CO -0.02 0.12 0.52 -0.08 0.09 0.00 0.00 178.44 179.07 1ub3 h GLU 106 N 0.16 1.17 -0.61 1.13 4.81 -1.07 -1.68 114.58 118.48 1ub3 h GLU 106 Ca 0.05 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1ub3 h GLU 106 Cb -0.01 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1ub3 h GLU 106 CO -0.01 0.82 0.18 0.00 -0.73 0.00 0.00 179.01 179.27 1ub3 h ALA 107 N 1.28 0.80 -0.06 2.92 0.00 -0.72 0.09 119.26 123.57 1ub3 h ALA 107 Ca 0.31 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1ub3 h ALA 107 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ub3 h ALA 107 CO -0.06 0.48 -0.69 1.05 0.00 0.00 0.00 179.25 180.03 1ub3 h GLU 108 N 0.88 0.30 -0.39 0.00 4.11 -0.77 -0.89 114.58 117.82 1ub3 h GLU 108 Ca 0.20 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 1ub3 h GLU 108 Cb 0.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ub3 h GLU 108 CO -0.00 0.88 -0.12 0.28 0.07 0.00 0.00 179.01 180.11 1ub3 h VAL 109 N 0.21 1.28 -0.84 -1.06 2.07 -1.14 -2.34 116.25 114.43 1ub3 h VAL 109 Ca -0.02 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1ub3 h VAL 109 Cb 1.25 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1ub3 h VAL 109 CO 0.11 0.41 0.43 -0.09 0.02 0.00 0.00 177.57 178.45 1ub3 h ARG 110 N 0.58 1.18 -0.48 1.57 9.65 -0.85 0.20 114.38 126.24 1ub3 h ARG 110 Ca 0.10 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1ub3 h ARG 110 Cb 0.65 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1ub3 h ARG 110 CO 0.04 0.89 0.26 0.00 2.80 0.00 0.00 179.97 183.96 1ub3 h ALA 111 N 1.29 0.61 -0.36 2.80 0.00 -0.99 0.52 119.26 123.13 1ub3 h ALA 111 Ca 0.29 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1ub3 h ALA 111 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ub3 h ALA 111 CO -0.04 0.14 -0.17 0.28 0.00 0.00 0.00 179.25 179.46 1ub3 h VAL 112 N 0.63 1.28 -0.57 0.00 2.07 -0.98 -2.00 116.25 116.69 1ub3 h VAL 112 Ca 0.17 -1.29 0.09 0.00 0.82 0.00 0.00 66.70 66.48 1ub3 h VAL 112 Cb 0.07 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1ub3 h VAL 112 CO -0.03 0.43 0.19 -0.09 0.02 0.00 0.00 177.57 178.09 1ub3 h ARG 113 N 0.54 0.35 0.00 1.57 9.65 -0.26 -1.19 114.38 125.05 1ub3 h ARG 113 Ca 0.08 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1ub3 h ARG 113 Cb 0.72 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1ub3 h ARG 113 CO 0.05 0.23 0.00 0.93 2.80 0.00 0.00 179.97 183.99 1ub3 h GLU 114 N 0.36 0.00 0.03 0.20 5.08 -0.80 -2.60 114.58 116.86 1ub3 h GLU 114 Ca 0.28 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.42 1ub3 h GLU 114 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ub3 h GLU 114 CO -0.30 0.00 -1.05 0.00 -1.00 0.00 0.00 179.01 176.66 1ub3 h ALA 115 N 2.14 0.30 -2.10 3.43 0.00 -0.47 -3.38 119.26 119.18 1ub3 h ALA 115 Ca 0.00 -0.89 -0.55 0.00 0.00 0.00 0.00 54.91 53.47 1ub3 h ALA 115 Cb 0.71 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 17.99 1ub3 h ALA 115 CO 0.00 1.16 -0.92 1.33 0.00 0.00 0.00 179.25 180.82 1ub3 n VAL 116 N -3.42 0.91 0.29 0.00 0.24 -0.72 -4.62 118.33 111.01 1ub3 n VAL 116 Ca -0.02 -4.76 0.17 0.00 -2.04 0.00 0.00 64.34 57.69 1ub3 n VAL 116 Cb 0.95 -1.44 0.95 0.00 -1.47 0.00 0.00 33.84 32.83 1ub3 n VAL 116 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1ub3 h PRO 117 N 3.58 0.00 -0.00 7.34 0.13 -1.65 -2.48 132.00 138.92 1ub3 h PRO 117 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ub3 h PRO 117 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ub3 h PRO 117 CO 0.63 0.00 -0.69 1.04 -0.23 0.00 0.00 178.00 178.75 1ub3 n GLN 118 N -3.66 0.18 -2.49 0.86 6.02 -1.26 -4.96 117.38 112.07 1ub3 n GLN 118 Ca -0.02 -0.13 -0.24 0.00 -0.01 0.00 0.00 57.00 56.60 1ub3 n GLN 118 Cb 0.14 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.95 1ub3 n GLN 118 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ub3 s ALA 119 N -2.91 3.54 -0.18 -1.58 0.00 -0.94 -5.05 121.76 114.65 1ub3 s ALA 119 Ca 0.12 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1ub3 s ALA 119 Cb 0.17 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1ub3 s ALA 119 CO 0.75 -0.91 0.49 0.08 0.00 0.00 0.00 175.76 176.17 1ub3 s VAL 120 N -2.94 5.14 -0.24 0.00 1.01 -0.90 -4.99 120.40 117.47 1ub3 s VAL 120 Ca 0.57 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 1ub3 s VAL 120 Cb -0.10 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1ub3 s VAL 120 CO 0.41 0.22 0.02 -0.22 0.00 0.00 0.00 175.10 175.54 1ub3 s LEU 121 N 1.34 3.25 -0.08 3.92 2.96 -1.26 -1.32 118.68 127.49 1ub3 s LEU 121 Ca 0.24 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1ub3 s LEU 121 Cb -0.15 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1ub3 s LEU 121 CO 0.10 -0.04 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.49 1ub3 s LYS 122 N 1.55 2.84 -0.20 1.98 1.02 0.17 -0.25 119.74 126.85 1ub3 s LYS 122 Ca 0.06 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1ub3 s LYS 122 Cb -0.15 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1ub3 s LYS 122 CO 0.01 0.64 -0.12 0.08 -0.92 0.00 0.00 175.35 175.04 1ub3 s VAL 123 N -0.74 2.71 -0.22 3.17 1.01 -0.40 -0.50 120.40 125.43 1ub3 s VAL 123 Ca 0.11 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 1ub3 s VAL 123 Cb -0.11 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1ub3 s VAL 123 CO 0.02 0.47 0.77 -0.63 0.00 0.00 0.00 175.10 175.73 1ub3 s ILE 124 N 1.38 4.89 -0.32 2.22 1.01 0.17 -0.46 121.20 130.09 1ub3 s ILE 124 Ca 0.05 1.46 0.23 0.00 0.00 0.00 0.00 60.65 62.39 1ub3 s ILE 124 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1ub3 s ILE 124 CO -0.08 -0.01 1.03 0.18 0.00 0.00 0.00 174.94 176.06 1ub3 n LEU 125 N 5.68 0.73 -3.56 2.97 4.77 -0.30 -2.40 117.00 124.88 1ub3 n LEU 125 Ca 0.03 0.24 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 1ub3 n LEU 125 Cb 0.48 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1ub3 n LEU 125 CO 0.46 -0.13 -0.03 1.21 -1.33 0.00 0.00 177.39 177.58 1ub3 n GLU 126 N -2.47 -1.43 0.16 3.23 4.07 -0.68 -4.83 120.64 118.70 1ub3 n GLU 126 Ca 0.00 0.62 0.18 0.00 -0.06 0.00 0.00 57.16 57.90 1ub3 n GLU 126 Cb 0.52 -4.47 0.71 0.00 -0.06 0.00 0.00 31.44 28.14 1ub3 n GLU 126 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ub3 h THR 127 N -1.52 0.21 0.00 6.31 1.35 -1.57 -2.77 112.91 114.92 1ub3 h THR 127 Ca -0.61 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1ub3 h THR 127 Cb 1.33 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1ub3 h THR 127 CO 0.46 0.00 0.06 1.23 -0.25 0.00 0.00 175.52 177.02 1ub3 h GLY 128 N 0.00 0.00 -1.11 5.82 0.00 -1.85 -1.46 103.07 104.47 1ub3 h GLY 128 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ub3 h GLY 128 CO -0.00 0.00 -0.34 -1.72 0.00 0.00 0.00 176.54 174.48 1ub3 n TYR 129 N -2.60 0.00 -4.35 5.60 4.01 -1.04 -4.86 117.16 113.92 1ub3 n TYR 129 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1ub3 n TYR 129 Cb 0.11 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 1ub3 n TYR 129 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1ub3 s PHE 130 N -2.19 1.77 0.62 -0.72 0.08 -0.55 -5.06 117.98 111.93 1ub3 s PHE 130 Ca 0.19 -0.53 -0.06 0.00 0.12 0.00 0.00 56.93 56.65 1ub3 s PHE 130 Cb 0.17 -0.83 0.02 0.00 -0.57 0.00 0.00 43.02 41.81 1ub3 s PHE 130 CO 0.46 0.38 0.93 -1.54 -0.10 0.00 0.00 175.22 175.35 1ub3 s SER 131 N -3.17 5.38 0.24 1.36 1.04 -1.26 -4.83 113.70 112.45 1ub3 s SER 131 Ca 0.21 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 57.22 1ub3 s SER 131 Cb -0.02 -1.54 0.32 0.00 0.10 0.00 0.00 66.02 64.88 1ub3 s SER 131 CO 0.07 -1.21 1.85 -0.65 0.98 0.00 0.00 173.24 174.29 1ub3 h PRO 132 N -0.29 0.95 -0.73 4.02 0.11 -1.99 0.11 132.00 134.17 1ub3 h PRO 132 Ca -0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1ub3 h PRO 132 Cb 1.27 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1ub3 h PRO 132 CO 0.60 0.63 0.35 0.93 -0.21 0.00 0.00 178.00 180.30 1ub3 h GLU 133 N 0.97 1.06 -0.21 1.05 3.07 -2.00 -1.19 114.58 117.33 1ub3 h GLU 133 Ca 0.37 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1ub3 h GLU 133 Cb 0.15 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1ub3 h GLU 133 CO -0.17 0.83 -0.00 0.93 -1.40 0.00 0.00 179.01 179.20 1ub3 h GLU 134 N 1.03 0.37 -0.74 2.33 5.08 -1.75 -2.90 114.58 118.00 1ub3 h GLU 134 Ca 0.25 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1ub3 h GLU 134 Cb 0.12 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1ub3 h GLU 134 CO -0.03 0.57 0.42 0.82 -1.00 0.00 0.00 179.01 179.78 1ub3 h ILE 135 N 0.14 0.95 -0.77 3.13 2.04 -0.56 -0.71 117.51 121.73 1ub3 h ILE 135 Ca 0.06 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1ub3 h ILE 135 Cb 0.40 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1ub3 h ILE 135 CO 0.01 0.13 0.48 0.00 0.00 0.00 0.00 178.15 178.77 1ub3 h ALA 136 N 1.39 1.02 -0.13 1.87 0.00 -1.12 0.79 119.26 123.09 1ub3 h ALA 136 Ca 0.34 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 1ub3 h ALA 136 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ub3 h ALA 136 CO -0.21 0.25 -0.62 0.00 0.00 0.00 0.00 179.25 178.67 1ub3 h ARG 137 N 0.91 0.46 -0.45 0.00 3.08 -1.18 -1.21 114.38 115.99 1ub3 h ARG 137 Ca 0.32 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1ub3 h ARG 137 Cb 0.07 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1ub3 h ARG 137 CO -0.13 0.93 0.00 -0.07 -1.07 0.00 0.00 179.97 179.63 1ub3 h LEU 138 N 0.34 0.77 -0.35 3.04 3.38 -0.67 -0.92 115.31 120.89 1ub3 h LEU 138 Ca -0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1ub3 h LEU 138 Cb 1.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1ub3 h LEU 138 CO 0.11 0.89 0.20 0.00 0.09 0.00 0.00 178.44 179.73 1ub3 h ALA 139 N 0.91 0.45 -0.73 1.53 0.00 -0.77 -0.82 119.26 119.82 1ub3 h ALA 139 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ub3 h ALA 139 Cb 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ub3 h ALA 139 CO 0.02 -0.04 0.30 1.49 0.00 0.00 0.00 179.25 181.02 1ub3 h GLU 140 N 0.44 1.08 -0.56 0.00 4.57 -1.04 -0.68 114.58 118.40 1ub3 h GLU 140 Ca 0.12 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1ub3 h GLU 140 Cb 0.04 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1ub3 h GLU 140 CO -0.02 0.87 0.07 0.00 -1.18 0.00 0.00 179.01 178.76 1ub3 h ALA 141 N 1.26 0.75 -0.58 2.92 0.00 -0.79 -2.33 119.26 120.50 1ub3 h ALA 141 Ca 0.25 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ub3 h ALA 141 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ub3 h ALA 141 CO -0.02 0.51 0.21 0.00 0.00 0.00 0.00 179.25 179.95 1ub3 h ALA 142 N 0.99 0.75 -0.52 0.00 0.00 -0.80 -0.70 119.26 118.99 1ub3 h ALA 142 Ca 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ub3 h ALA 142 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ub3 h ALA 142 CO 0.01 0.39 0.18 0.82 0.00 0.00 0.00 179.25 180.66 1ub3 h ILE 143 N 0.80 1.23 0.00 0.00 2.04 -0.94 -1.71 117.51 118.93 1ub3 h ILE 143 Ca 0.19 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1ub3 h ILE 143 Cb 0.23 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1ub3 h ILE 143 CO -0.01 0.27 -0.14 0.03 0.00 0.00 0.00 178.15 178.30 1ub3 h ARG 144 N 0.71 0.00 0.00 2.37 3.08 -1.15 -1.49 114.38 117.91 1ub3 h ARG 144 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ub3 h ARG 144 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1ub3 h ARG 144 CO -0.01 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 1ub3 n GLY 145 N -1.05 -1.56 0.00 0.04 0.00 -0.29 -4.91 105.19 97.42 1ub3 n GLY 145 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ub3 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub3 n GLY 146 N 1.23 1.25 3.77 -0.02 0.00 -0.56 -3.19 105.19 107.67 1ub3 n GLY 146 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ub3 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 n ALA 147 N -0.79 2.29 -0.06 4.61 0.00 -0.72 -4.88 120.51 120.96 1ub3 n ALA 147 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.66 1ub3 n ALA 147 Cb 0.00 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 16.89 1ub3 n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ub3 n ASP 148 N 0.27 0.50 -4.12 0.00 8.00 0.65 -4.79 116.55 117.07 1ub3 n ASP 148 Ca 0.02 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.60 1ub3 n ASP 148 Cb 0.40 0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 41.79 1ub3 n ASP 148 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ub3 s PHE 149 N -2.55 0.88 -0.21 1.24 0.40 -0.74 -1.00 117.98 116.01 1ub3 s PHE 149 Ca -0.08 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 1ub3 s PHE 149 Cb 0.07 -0.50 0.02 0.00 0.51 0.00 0.00 43.02 43.11 1ub3 s PHE 149 CO 0.82 -0.05 -0.13 -0.51 0.70 0.00 0.00 175.22 176.05 1ub3 s LEU 150 N -2.04 2.58 -0.12 -0.37 1.43 0.26 -1.27 118.68 119.16 1ub3 s LEU 150 Ca -0.02 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.40 1ub3 s LEU 150 Cb -0.06 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1ub3 s LEU 150 CO -0.00 -0.04 0.01 -0.75 0.23 0.00 0.00 176.35 175.80 1ub3 s LYS 151 N 1.34 3.34 0.06 1.70 2.20 0.39 -0.74 119.74 128.03 1ub3 s LYS 151 Ca 0.04 -0.42 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 1ub3 s LYS 151 Cb -0.14 -2.91 -0.12 0.00 -1.51 0.00 0.00 37.83 33.15 1ub3 s LYS 151 CO -0.09 0.52 1.47 1.79 -0.36 0.00 0.00 175.35 178.68 1ub3 h THR 152 N 4.52 1.27 -3.87 3.43 1.35 -1.66 -0.78 112.91 117.16 1ub3 h THR 152 Ca -0.44 -0.93 -0.10 0.00 -0.55 0.00 0.00 66.41 64.40 1ub3 h THR 152 Cb 1.19 1.55 -0.13 0.00 -1.73 0.00 0.00 68.15 69.03 1ub3 h THR 152 CO 0.59 0.28 -0.34 -0.44 -0.25 0.00 0.00 175.52 175.36 1ub3 s SER 153 N -5.86 0.07 0.15 5.36 0.01 -1.26 -1.43 113.70 110.74 1ub3 s SER 153 Ca -0.14 -0.82 0.17 0.00 1.31 0.00 0.00 55.95 56.48 1ub3 s SER 153 Cb 0.06 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.65 1ub3 s SER 153 CO 0.73 -0.85 1.05 0.71 0.41 0.00 0.00 173.24 175.29 1ub3 h THR 154 N 2.60 0.51 0.00 1.44 1.35 -1.87 -3.43 112.91 113.51 1ub3 h THR 154 Ca -0.32 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 1ub3 h THR 154 Cb 1.22 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1ub3 h THR 154 CO 0.51 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1ub3 n GLY 155 N 1.31 0.77 0.00 5.82 0.00 -1.26 -4.84 105.19 106.98 1ub3 n GLY 155 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ub3 n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ub3 n PHE 156 N -2.00 0.00 -1.64 1.61 3.01 -1.26 -4.96 117.46 112.22 1ub3 n PHE 156 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1ub3 n PHE 156 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1ub3 n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ub3 n GLY 157 N -0.12 0.94 0.31 1.37 0.00 -1.26 -4.99 105.19 101.44 1ub3 n GLY 157 Ca 0.00 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.18 1ub3 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ub3 h PRO 158 N 0.00 0.55 -3.33 1.61 0.11 -1.96 -3.45 132.00 125.53 1ub3 h PRO 158 Ca 0.00 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1ub3 h PRO 158 Cb 0.00 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 30.95 1ub3 h PRO 158 CO 0.00 0.36 0.11 -0.98 -0.21 0.00 0.00 178.00 177.28 1ub3 s ARG 159 N -5.95 1.95 0.00 1.05 1.70 -1.26 -5.07 118.95 111.37 1ub3 s ARG 159 Ca -0.12 -1.36 0.00 0.00 -0.47 0.00 0.00 55.73 53.78 1ub3 s ARG 159 Cb 0.23 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 35.17 1ub3 s ARG 159 CO 0.78 -0.88 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1ub3 n GLY 160 N -0.49 1.50 3.76 3.88 0.00 -1.26 -4.72 105.19 107.86 1ub3 n GLY 160 Ca -0.04 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 1ub3 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 161 N -2.30 2.98 0.18 4.61 0.00 -0.66 -4.88 121.76 121.69 1ub3 s ALA 161 Ca 0.00 1.09 0.10 0.00 0.00 0.00 0.00 51.96 53.15 1ub3 s ALA 161 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1ub3 s ALA 161 CO 0.00 -0.87 -0.21 -1.54 0.00 0.00 0.00 175.76 173.14 1ub3 s SER 162 N -1.14 3.04 0.38 0.00 1.04 -1.26 -4.99 113.70 110.77 1ub3 s SER 162 Ca 0.64 -0.86 0.09 0.00 0.48 0.00 0.00 55.95 56.30 1ub3 s SER 162 Cb -0.33 -0.20 0.76 0.00 0.10 0.00 0.00 66.02 66.35 1ub3 s SER 162 CO 0.41 0.04 1.91 -0.07 0.98 0.00 0.00 173.24 176.51 1ub3 h LEU 163 N 3.25 0.26 -0.71 2.42 3.38 -1.96 -2.13 115.31 119.81 1ub3 h LEU 163 Ca -0.44 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1ub3 h LEU 163 Cb 1.21 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1ub3 h LEU 163 CO 0.49 0.40 0.29 -0.33 0.09 0.00 0.00 178.44 179.38 1ub3 h GLU 164 N 0.26 1.06 -0.03 1.13 3.07 -1.99 -1.71 114.58 116.37 1ub3 h GLU 164 Ca 0.05 -0.19 0.02 0.00 -0.50 0.00 0.00 59.36 58.74 1ub3 h GLU 164 Cb 0.37 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1ub3 h GLU 164 CO 0.02 0.87 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.99 1ub3 h ASP 165 N 1.01 -0.20 0.09 1.42 3.32 -1.80 -1.48 116.42 118.80 1ub3 h ASP 165 Ca 0.24 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1ub3 h ASP 165 Cb 0.20 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1ub3 h ASP 165 CO -0.02 -0.10 -0.09 0.58 -1.72 0.00 0.00 179.24 177.89 1ub3 h VAL 166 N -0.10 0.78 -0.59 -1.35 2.07 -1.29 -0.35 116.25 115.42 1ub3 h VAL 166 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1ub3 h VAL 166 Cb 0.15 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1ub3 h VAL 166 CO -0.09 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.84 1ub3 h ALA 167 N 0.69 0.76 -0.08 1.67 0.00 -1.25 -0.81 119.26 120.25 1ub3 h ALA 167 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ub3 h ALA 167 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ub3 h ALA 167 CO -0.03 0.04 0.05 1.25 0.00 0.00 0.00 179.25 180.55 1ub3 h LEU 168 N 0.65 0.09 -0.97 0.00 5.85 -1.02 -1.42 115.31 118.49 1ub3 h LEU 168 Ca 0.25 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1ub3 h LEU 168 Cb 0.09 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1ub3 h LEU 168 CO -0.13 0.11 0.36 -0.07 -0.34 0.00 0.00 178.44 178.36 1ub3 h LEU 169 N 0.07 0.99 -0.21 2.25 3.38 -0.76 0.51 115.31 121.54 1ub3 h LEU 169 Ca 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ub3 h LEU 169 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ub3 h LEU 169 CO -0.01 0.84 0.02 0.58 0.09 0.00 0.00 178.44 179.96 1ub3 h VAL 170 N 1.08 1.24 -0.47 1.22 2.07 -0.96 0.90 116.25 121.33 1ub3 h VAL 170 Ca 0.26 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1ub3 h VAL 170 Cb 0.12 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1ub3 h VAL 170 CO -0.03 0.25 0.17 -0.09 0.02 0.00 0.00 177.57 177.90 1ub3 h ARG 171 N 0.14 0.34 -0.31 1.57 2.43 -0.95 -2.60 114.38 115.00 1ub3 h ARG 171 Ca 0.06 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.04 1ub3 h ARG 171 Cb 0.36 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1ub3 h ARG 171 CO 0.01 0.23 -0.48 0.28 -1.51 0.00 0.00 179.97 178.49 1ub3 h VAL 172 N 0.35 1.28 -0.76 0.20 2.07 -0.78 -3.12 116.25 115.49 1ub3 h VAL 172 Ca 0.22 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1ub3 h VAL 172 Cb 0.21 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1ub3 h VAL 172 CO -0.22 0.55 0.46 0.00 0.02 0.00 0.00 177.57 178.38 1ub3 h ALA 173 N 0.70 1.37 -6.12 1.67 0.00 -0.73 -3.47 119.26 112.69 1ub3 h ALA 173 Ca 0.03 -0.09 -0.46 0.00 0.00 0.00 0.00 54.91 54.39 1ub3 h ALA 173 Cb 1.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1ub3 h ALA 173 CO 0.11 0.54 -0.73 1.04 0.00 0.00 0.00 179.25 180.21 1ub3 n GLN 174 N -4.38 -5.39 -0.90 0.00 1.13 -0.99 -1.15 117.38 105.70 1ub3 n GLN 174 Ca 0.08 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.75 1ub3 n GLN 174 Cb 0.07 -5.49 0.00 0.00 0.11 0.00 0.00 30.24 24.92 1ub3 n GLN 174 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ub3 n GLY 175 N -1.65 0.94 0.16 1.08 0.00 -1.26 -4.87 105.19 99.59 1ub3 n GLY 175 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1ub3 n GLY 175 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ub3 h ARG 176 N 2.58 0.00 -2.66 1.61 3.08 -1.51 -3.45 114.38 114.03 1ub3 h ARG 176 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1ub3 h ARG 176 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1ub3 h ARG 176 CO 0.00 0.00 0.17 0.00 -1.07 0.00 0.00 179.97 179.07 1ub3 s ALA 177 N -3.24 -1.59 0.53 0.04 0.00 -1.26 -4.92 121.76 111.33 1ub3 s ALA 177 Ca 0.07 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 1ub3 s ALA 177 Cb 0.10 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1ub3 s ALA 177 CO 0.57 -0.60 0.78 -0.65 0.00 0.00 0.00 175.76 175.86 1ub3 s GLN 178 N -2.72 2.79 -0.07 0.00 -0.21 -0.17 -4.85 119.66 114.43 1ub3 s GLN 178 Ca -0.04 -0.45 0.04 0.00 0.02 0.00 0.00 55.36 54.93 1ub3 s GLN 178 Cb -0.01 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 1ub3 s GLN 178 CO -0.04 -0.59 -0.21 0.08 -2.12 0.00 0.00 175.29 172.42 1ub3 s VAL 179 N -2.77 2.41 -0.21 1.09 1.01 -1.26 -0.57 120.40 120.10 1ub3 s VAL 179 Ca 0.53 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1ub3 s VAL 179 Cb -0.10 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1ub3 s VAL 179 CO 0.40 0.56 -0.12 -0.75 0.00 0.00 0.00 175.10 175.19 1ub3 s LYS 180 N -0.11 3.09 -0.09 2.72 2.20 0.08 -1.21 119.74 126.43 1ub3 s LYS 180 Ca -0.04 -0.79 -0.20 0.00 -0.36 0.00 0.00 55.97 54.58 1ub3 s LYS 180 Cb -0.14 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 1ub3 s LYS 180 CO 0.04 -0.24 0.57 0.00 -0.36 0.00 0.00 175.35 175.36 1ub3 s ALA 181 N 1.36 3.42 0.03 3.13 0.00 -0.60 -1.86 121.76 127.25 1ub3 s ALA 181 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1ub3 s ALA 181 Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 1ub3 s ALA 181 CO -0.08 -0.03 0.15 0.00 0.00 0.00 0.00 175.76 175.81 1ub3 s ALA 182 N 0.63 -0.26 0.00 0.00 0.00 -1.26 -0.43 121.76 120.44 1ub3 s ALA 182 Ca 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1ub3 s ALA 182 Cb -0.16 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1ub3 s ALA 182 CO 0.14 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ub3 n GLY 183 N 0.85 -1.45 2.85 0.00 0.00 -1.16 -1.65 105.19 104.63 1ub3 n GLY 183 Ca -0.20 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1ub3 n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub3 n GLY 184 N 1.31 0.90 3.54 -0.02 0.00 -1.26 -2.05 105.19 107.61 1ub3 n GLY 184 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ub3 n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub3 s ILE 185 N -3.61 3.86 -0.16 -0.61 1.01 -1.26 -4.82 121.20 115.61 1ub3 s ILE 185 Ca 0.00 0.41 0.16 0.00 0.00 0.00 0.00 60.65 61.22 1ub3 s ILE 185 Cb 0.00 -4.85 -0.24 0.00 0.01 0.00 0.00 42.46 37.38 1ub3 s ILE 185 CO 0.00 -1.70 0.42 0.54 0.00 0.00 0.00 174.94 174.20 1ub3 n ARG 186 N 8.97 0.74 -4.23 2.79 5.12 -1.26 -4.50 116.66 124.28 1ub3 n ARG 186 Ca 0.03 -0.12 -0.13 0.00 -1.93 0.00 0.00 57.85 55.70 1ub3 n ARG 186 Cb 0.49 -1.36 -0.10 0.00 -1.16 0.00 0.00 32.46 30.32 1ub3 n ARG 186 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1ub3 s ASP 187 N -3.62 1.43 0.24 0.55 1.47 -1.26 -4.64 116.67 110.84 1ub3 s ASP 187 Ca -0.04 -1.09 -0.06 0.00 1.18 0.00 0.00 52.55 52.55 1ub3 s ASP 187 Cb 0.11 0.06 0.32 0.00 -0.34 0.00 0.00 42.92 43.07 1ub3 s ASP 187 CO 0.68 -0.46 1.84 -0.09 0.68 0.00 0.00 175.17 177.81 1ub3 h ARG 188 N 2.77 0.88 -0.47 2.11 2.43 -1.83 -1.88 114.38 118.38 1ub3 h ARG 188 Ca -0.36 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 1ub3 h ARG 188 Cb 1.19 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1ub3 h ARG 188 CO 0.64 0.58 0.31 0.93 -1.51 0.00 0.00 179.97 180.92 1ub3 h GLU 189 N 0.91 0.61 -0.43 0.20 3.07 -1.96 -0.63 114.58 116.34 1ub3 h GLU 189 Ca 0.36 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.15 1ub3 h GLU 189 Cb 0.19 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1ub3 h GLU 189 CO -0.18 0.41 0.12 1.15 -1.40 0.00 0.00 179.01 179.10 1ub3 h THR 190 N 0.63 1.23 -0.58 1.13 2.02 -1.91 -1.92 112.91 113.51 1ub3 h THR 190 Ca 0.18 -0.77 0.08 0.00 0.77 0.00 0.00 66.41 66.66 1ub3 h THR 190 Cb -0.06 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1ub3 h THR 190 CO -0.05 0.27 0.25 0.00 0.37 0.00 0.00 175.52 176.37 1ub3 h ALA 191 N 0.97 0.75 -0.55 6.16 0.00 -0.97 -1.22 119.26 124.39 1ub3 h ALA 191 Ca 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1ub3 h ALA 191 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ub3 h ALA 191 CO -0.00 -0.14 0.11 -0.07 0.00 0.00 0.00 179.25 179.14 1ub3 h LEU 192 N 0.46 0.81 -0.65 0.00 3.38 -0.83 -2.08 115.31 116.39 1ub3 h LEU 192 Ca 0.28 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1ub3 h LEU 192 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1ub3 h LEU 192 CO -0.25 0.81 0.13 0.03 0.09 0.00 0.00 178.44 179.25 1ub3 h ARG 193 N 0.82 1.07 -0.61 1.13 3.08 -0.50 -0.75 114.38 118.62 1ub3 h ARG 193 Ca 0.18 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1ub3 h ARG 193 Cb 0.34 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1ub3 h ARG 193 CO 0.00 0.97 0.30 0.52 -1.07 0.00 0.00 179.97 180.70 1ub3 h MET 194 N 0.99 0.86 -0.39 0.04 2.86 -0.88 -1.03 114.93 117.38 1ub3 h MET 194 Ca 0.20 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1ub3 h MET 194 Cb 0.40 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1ub3 h MET 194 CO 0.01 0.68 -0.16 -0.07 1.06 0.00 0.00 176.91 178.44 1ub3 h LEU 195 N 0.83 0.73 -1.25 1.22 3.38 -1.18 -2.45 115.31 116.58 1ub3 h LEU 195 Ca 0.21 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1ub3 h LEU 195 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1ub3 h LEU 195 CO -0.03 0.89 -0.02 0.50 0.09 0.00 0.00 178.44 179.87 1ub3 h LYS 196 N 0.65 0.49 0.00 1.13 3.64 -0.68 -1.90 116.57 119.90 1ub3 h LYS 196 Ca 0.10 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ub3 h LYS 196 Cb 0.63 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ub3 h LYS 196 CO 0.04 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 1ub3 n ALA 197 N -2.48 1.78 0.00 5.00 0.00 -0.43 -4.86 120.51 119.52 1ub3 n ALA 197 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ub3 n ALA 197 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1ub3 n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub3 n GLY 198 N 0.26 0.92 3.76 0.00 0.00 -0.72 -4.10 105.19 105.31 1ub3 n GLY 198 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ub3 n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 199 N -1.48 3.44 -0.98 4.61 0.00 -0.96 -4.61 121.76 121.76 1ub3 s ALA 199 Ca 0.00 1.01 0.13 0.00 0.00 0.00 0.00 51.96 53.11 1ub3 s ALA 199 Cb 0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1ub3 s ALA 199 CO 0.00 -0.32 0.67 -1.13 0.00 0.00 0.00 175.76 174.99 1ub3 n SER 200 N 1.13 1.10 -3.86 0.00 3.41 -0.35 -4.36 113.62 110.70 1ub3 n SER 200 Ca -0.01 -1.05 -0.12 0.00 -0.26 0.00 0.00 58.87 57.44 1ub3 n SER 200 Cb 0.44 0.69 -0.11 0.00 -0.26 0.00 0.00 64.21 64.97 1ub3 n SER 200 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ub3 s ARG 201 N -1.90 0.37 -0.11 4.33 6.06 -1.18 -4.78 118.95 121.74 1ub3 s ARG 201 Ca 0.09 -0.19 0.02 0.00 -2.50 0.00 0.00 55.73 53.15 1ub3 s ARG 201 Cb 0.10 0.16 0.01 0.00 0.06 0.00 0.00 34.95 35.29 1ub3 s ARG 201 CO 0.42 -0.08 -0.18 -0.51 -2.50 0.00 0.00 175.30 172.45 1ub3 s LEU 202 N -0.87 1.87 -0.29 -0.88 1.43 0.11 -1.55 118.68 118.49 1ub3 s LEU 202 Ca -0.10 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 1ub3 s LEU 202 Cb -0.05 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1ub3 s LEU 202 CO 0.01 0.06 0.26 -0.83 0.23 0.00 0.00 176.35 176.08 1ub3 s GLY 203 N 0.80 1.92 -0.17 -3.19 0.00 0.43 -0.38 107.32 106.73 1ub3 s GLY 203 Ca -0.10 -1.08 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 1ub3 s GLY 203 CO 0.01 0.78 0.61 -1.08 0.00 0.00 0.00 173.10 173.42 1ub3 s THR 204 N 1.85 0.00 -1.28 0.90 -1.32 -1.11 -3.01 115.64 111.68 1ub3 s THR 204 Ca 0.09 -0.04 0.27 0.00 -1.21 0.00 0.00 61.69 60.80 1ub3 s THR 204 Cb -0.16 -0.88 0.21 0.00 -1.51 0.00 0.00 72.50 70.16 1ub3 s THR 204 CO 0.11 -0.02 1.67 -1.20 -2.21 0.00 0.00 174.62 172.96 1ub3 n SER 205 N 2.13 0.46 -2.12 8.08 7.64 -1.26 -0.82 113.62 127.73 1ub3 n SER 205 Ca -0.16 -0.27 -0.20 0.00 1.01 0.00 0.00 58.87 59.25 1ub3 n SER 205 Cb 0.56 -0.01 0.20 0.00 -1.01 0.00 0.00 64.21 63.94 1ub3 n SER 205 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ub3 n SER 206 N -1.23 3.77 -0.26 6.43 7.64 -1.26 -4.72 113.62 123.99 1ub3 n SER 206 Ca 0.09 -3.58 0.07 0.00 1.01 0.00 0.00 58.87 56.46 1ub3 n SER 206 Cb 0.32 -0.81 0.21 0.00 -1.01 0.00 0.00 64.21 62.91 1ub3 n SER 206 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ub3 h GLY 207 N 1.19 1.14 1.00 0.23 0.00 -1.91 -1.84 103.07 102.88 1ub3 h GLY 207 Ca 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1ub3 h GLY 207 CO 1.01 -0.19 0.33 -2.08 0.00 0.00 0.00 176.54 175.61 1ub3 h VAL 208 N 0.33 1.14 -0.50 4.60 2.07 -1.94 -2.49 116.25 119.45 1ub3 h VAL 208 Ca 0.44 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 1ub3 h VAL 208 Cb 0.76 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1ub3 h VAL 208 CO -0.49 0.13 0.13 0.00 0.02 0.00 0.00 177.57 177.36 1ub3 h ALA 209 N 1.18 1.29 -0.23 1.67 0.00 -1.58 0.32 119.26 121.90 1ub3 h ALA 209 Ca 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ub3 h ALA 209 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ub3 h ALA 209 CO -0.04 0.50 -0.04 -0.07 0.00 0.00 0.00 179.25 179.60 1ub3 h LEU 210 N 0.73 0.33 0.00 0.00 4.07 -0.96 -3.30 115.31 116.17 1ub3 h LEU 210 Ca 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1ub3 h LEU 210 Cb 0.26 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 1ub3 h LEU 210 CO -0.00 0.42 -1.51 1.33 -1.08 0.00 0.00 178.44 177.60 1ub3 n VAL 211 N -4.31 0.09 -0.09 1.22 0.24 -1.08 -4.48 118.33 109.92 1ub3 n VAL 211 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1ub3 n VAL 211 Cb 0.23 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1ub3 n VAL 211 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69